JJQ

(3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole

Created:2019-02-28
Last modified:  2019-07-31

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count2
Bond Count38
Aromatic Bond Count6
2D diagram of JJQ

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Chemical Component Summary

Name(3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole
Systematic Name (OpenEye OEToolkits)(3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole
FormulaC14 H20 N2
Molecular Weight216.322
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC1(C)C[C]2(C)c3ccccc3N[C]2(C)N1
SMILESOpenEye OEToolkits2.0.7CC1(CC2(c3ccccc3NC2(N1)C)C)C
Canonical SMILESCACTVS3.385 CC1(C)C[C@@]2(C)c3ccccc3N[C@@]2(C)N1
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C
InChIInChI1.03 InChI=1S/C14H20N2/c1-12(2)9-13(3)10-7-5-6-8-11(10)15-14(13,4)16-12/h5-8,15-16H,9H2,1-4H3/t13-,14-/m0/s1
InChIKeyInChI1.03 DUUDIYIPNBFHFB-KBPBESRZSA-N

Related Resource References

Resource NameReference
PubChem 138756272